(3S)-1-[[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]methyl]piperidin-1-ium-3-ol Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C17H24N2O2/c1-13-9-15(10-18-7-3-5-16(20)11-18)14(2)19(13)12-17-6-4-8-21-17/h4,6,8-9,16,20H,3,5,7,10-12H2,1-2H3/p+1/t16-/m0/s1